(4S,6R)-6-methoxydodec-1-en-4-ol

C13H26O2 — CID 11095973

IUPAC(4S,6R)-6-methoxydodec-1-en-4-ol
SMILESC=CC[C@H](O)C[C@@H](CCCCCC)OC
InChIInChI=1S/C13H26O2/c1-4-6-7-8-10-13(15-3)11-12(14)9-5-2/h5,12-14H,2,4,6-11H2,1,3H3/t12-,13+/m0/s1
InChIKeyYFDIWRJDOSVTCI-QWHCGFSZSA-N
MW214.35 g/mol
LogP3.30
Rot. Bonds10

About (4S,6R)-6-methoxydodec-1-en-4-ol

(4S,6R)-6-methoxydodec-1-en-4-ol (PubChem CID 11095973) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is (4S,6R)-6-methoxydodec-1-en-4-ol.

Molecular Properties

Compound Name(4S,6R)-6-methoxydodec-1-en-4-ol
PubChem CID11095973
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name(4S,6R)-6-methoxydodec-1-en-4-ol
SMILESC=CC[C@H](O)C[C@@H](CCCCCC)OC
InChIInChI=1S/C13H26O2/c1-4-6-7-8-10-13(15-3)11-12(14)9-5-2/h5,12-14H,2,4,6-11H2,1,3H3/t12-,13+/m0/s1
InChIKeyYFDIWRJDOSVTCI-QWHCGFSZSA-N
XLogP3.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-methoxynon-1-ene
CID 13284925
(4R)-dodec-1-en-4-ol
CID 11074077
nonacos-1-ene-4,6,8,10,12,14,16,18,20,22,24-undecol
CID 121434328
(2R,4R)-1,4-dimethoxynonan-2-ol
CID 23238601
(4S,6R,8R,10R,12R,14R)-6,8,10,12,14-pentamethoxy-4-(methoxymethoxy)nonadec-1-ene
CID 46844562
(5S)-5-methoxyundecane
CID 118889956
4-methoxy-2-methyltridecane
CID 150137637
4-ethenoxyundec-1-ene
CID 101420327
(4R)-4-(methoxymethoxy)undec-1-ene
CID 102130866
(4S)-4-methoxyundecan-1-ol
CID 53329455
12-methoxyoctadecan-1-ol
CID 18347175
7,9,13-trimethoxyoctadecanoic acid
CID 22371558

Frequently Asked Questions

What is the IUPAC name of (4S,6R)-6-methoxydodec-1-en-4-ol?
The IUPAC name of (4S,6R)-6-methoxydodec-1-en-4-ol (CID 11095973) is (4S,6R)-6-methoxydodec-1-en-4-ol.
What is the SMILES notation for (4S,6R)-6-methoxydodec-1-en-4-ol?
The canonical SMILES for (4S,6R)-6-methoxydodec-1-en-4-ol is C=CC[C@H](O)C[C@@H](CCCCCC)OC.
What is the InChIKey of (4S,6R)-6-methoxydodec-1-en-4-ol?
The InChIKey is YFDIWRJDOSVTCI-QWHCGFSZSA-N. The full InChI is InChI=1S/C13H26O2/c1-4-6-7-8-10-13(15-3)11-12(14)9-5-2/h5,12-14H,2,4,6-11H2,1,3H3/t12-,13+/m0/s1.
What are the key properties of (4S,6R)-6-methoxydodec-1-en-4-ol?
(4S,6R)-6-methoxydodec-1-en-4-ol has a molecular weight of 214.35 g/mol, XLogP of 3.30, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6R)-6-methoxydodec-1-en-4-ol is sourced from PubChem (CID 11095973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).